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Two fixes:

  1. Sometimes the simulated spectra has some nans in it. The wppf.DOC property was being calculated as nans for these cases. Fixing it.
  2. the amorphous_lineout for experimental spectra with multiple phases was initialized to zeros inside the loop. Fixing that.

@saransh13 saransh13 requested a review from psavery August 12, 2025 22:37
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codecov bot commented Aug 12, 2025

Codecov Report

❌ Patch coverage is 16.66667% with 10 lines in your changes missing coverage. Please review.
✅ Project coverage is 49.26%. Comparing base (314c567) to head (36d2865).
⚠️ Report is 3 commits behind head on master.

Files with missing lines Patch % Lines
hexrd/wppf/WPPF.py 18.18% 9 Missing ⚠️
hexrd/wppf/amorphous.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #830      +/-   ##
==========================================
- Coverage   49.26%   49.26%   -0.01%     
==========================================
  Files         144      144              
  Lines       23299    23306       +7     
==========================================
+ Hits        11479    11481       +2     
- Misses      11820    11825       +5     

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@saransh13 saransh13 merged commit 4801d6a into master Aug 13, 2025
8 of 10 checks passed
@psavery psavery deleted the amorphous-fix branch September 16, 2025 11:57
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3 participants